Theta Point Calculation of a Polymer Chain with Electric Dipole Moments: Monte Carlo Simulation
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Tarih
2020
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
Monte Carlo simulations are used to simulate a single polymer chain in a more generalized model. The more generalized model differs from the simpler models by including dipole-dipole interactions. The polymer chain is modeled as a freely rotating chain where the neighboring beads are connected by harmonic spring. Excluded volume effects are included employing modified Lennard-Jones potential. As the extension in this work, each monomer unit carries permanently a freely-rotating electric dipole moment. After getting the system equilibrated the average values are measured and ?-temperature of the system is determined. The effects of the presence of the dipole moments to the ?-temperature of the system are investigated. The results are analyzed in comparison with a bare model.Keywords: Polymer Chain, Theta Temperature, Monte Carlo, Dipole-dipole interaction
Açıklama
Anahtar Kelimeler
Fizik, Atomik ve Moleküler Kimya, Polimer Bilimi, İstatistik ve Olasılık
Kaynak
Sakarya Üniversitesi Fen Bilimleri Enstitüsü Dergisi
WoS Q Değeri
Scopus Q Değeri
Cilt
24
Sayı
5
